![CAS 1007999-30-5 1-[(5-chloro-2-thienyl)sulfonyl]proline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007999-30-5.gif)
CAS RN: 1007999-30-5
1-[(5-chloro-2-thienyl)sulfonyl]proline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260130 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1007999-30-5
- Purity/Analytical Methods: >99.0%
1007999-30-5 / 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
1-[(5-chlorothien-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid | 1-[(5-chloro-2-thienyl)sulfonyl]proline | 1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
1007999-30-5
Multi CAS
Yes
Molecular Formula
C9H10ClNO4S2
Molecular Weight
295.800000
Exact Mass
294.973978
SMILES
C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)O
InChI
InChI=1S/C9H10ClNO4S2/c10-7-3-4-8(16-7)17(14,15)11-5-1-2-6(11)9(12)13/h3-4,6H,1-2,5H2,(H,12,13)
InChIKey
UYVXUYVAIIWBSW-UHFFFAOYSA-N
Synonyms
1-[(5-chlorothien-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid
1-[(5-chloro-2-thienyl)sulfonyl]proline
1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid
MFCD06255099
1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylic Acid
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.88
TPSA
74.68
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
2.2
Consensus LogP
1.76
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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